ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene

C14H25NO2 — CID 143344464

IUPACethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=Cc1cn(C)c(=O)o1.CC
InChIInChI=1S/C6H7NO2.C6H12.C2H6/c1-3-5-4-7(2)6(8)9-5;1-4-6(3)5-2;1-2/h3-4H,1H2,2H3;4H,5H2,1-3H3;1-2H3/b;6-4+;
InChIKeyCBXQHCMOYFFWDR-HWWUXOKASA-N
MW239.36 g/mol
LogP4.01
Rot. Bonds2

About ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene

ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene (PubChem CID 143344464) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene.

Molecular Properties

Compound Nameethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene
PubChem CID143344464
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=Cc1cn(C)c(=O)o1.CC
InChIInChI=1S/C6H7NO2.C6H12.C2H6/c1-3-5-4-7(2)6(8)9-5;1-4-6(3)5-2;1-2/h3-4H,1H2,2H3;4H,5H2,1-3H3;1-2H3/b;6-4+;
InChIKeyCBXQHCMOYFFWDR-HWWUXOKASA-N
XLogP4.01
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one
CID 143344210
3-ethyl-5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-4-methyl-1,3-oxazol-2-one
CID 143588735
[(3E)-5-methylidenehepta-1,3-dien-3-yl] N-ethyl-N-methylcarbamate
CID 168180885

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene?
The IUPAC name of ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene (CID 143344464) is ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene.
What is the SMILES notation for ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene?
The canonical SMILES for ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene is C/C=C(\C)CC.C=Cc1cn(C)c(=O)o1.CC.
What is the InChIKey of ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene?
The InChIKey is CBXQHCMOYFFWDR-HWWUXOKASA-N. The full InChI is InChI=1S/C6H7NO2.C6H12.C2H6/c1-3-5-4-7(2)6(8)9-5;1-4-6(3)5-2;1-2/h3-4H,1H2,2H3;4H,5H2,1-3H3;1-2H3/b;6-4+;.
What are the key properties of ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene?
ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene has a molecular weight of 239.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene is sourced from PubChem (CID 143344464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).